1-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]imidazole-2-thione

Systemtic Name: 1-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]imidazole-2-thione Openeye Name: 1-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]imidazole-2-thione CAS Name: 1-methyl-3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 1-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]imidazole-2-thione Traditional Name: 1-methyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-imidazoline-2-thione Formula: C15H20N5O2S+ MolecularWeight: 334.4166

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O2S/c1-16-6-9-19(15(16)23)12-17-7-10-18(11-8-17)13-2-4-14(5-3-13)20(21)22/h2-6,9H,7-8,10-12H2,1H3/p+1